N-methyl-2-(1-naphthalen-2-ylsulfonylindazol-4-yl)oxyethanamine;hydrochloride

C20H20ClN3O3S — CID 142694484

IUPACN-methyl-2-(1-naphthalen-2-ylsulfonylindazol-4-yl)oxyethanamine;hydrochloride
SMILESCNCCOc1cccc2c1cnn2S(=O)(=O)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C20H19N3O3S.ClH/c1-21-11-12-26-20-8-4-7-19-18(20)14-22-23(19)27(24,25)17-10-9-15-5-2-3-6-16(15)13-17;/h2-10,13-14,21H,11-12H2,1H3;1H
InChIKeyNEOMLKAMOQSIAS-UHFFFAOYSA-N
MW417.92 g/mol
LogP3.45
Rot. Bonds6

About N-methyl-2-(1-naphthalen-2-ylsulfonylindazol-4-yl)oxyethanamine;hydrochloride

N-methyl-2-(1-naphthalen-2-ylsulfonylindazol-4-yl)oxyethanamine;hydrochloride (PubChem CID 142694484) has the molecular formula C20H20ClN3O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is N-methyl-2-(1-naphthalen-2-ylsulfonylindazol-4-yl)oxyethanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-(1-naphthalen-2-ylsulfonylindazol-4-yl)oxyethanamine;hydrochloride
PubChem CID142694484
Molecular FormulaC20H20ClN3O3S
Molecular Weight417.92 g/mol
Exact Mass417.09
IUPAC NameN-methyl-2-(1-naphthalen-2-ylsulfonylindazol-4-yl)oxyethanamine;hydrochloride
SMILESCNCCOc1cccc2c1cnn2S(=O)(=O)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C20H19N3O3S.ClH/c1-21-11-12-26-20-8-4-7-19-18(20)14-22-23(19)27(24,25)17-10-9-15-5-2-3-6-16(15)13-17;/h2-10,13-14,21H,11-12H2,1H3;1H
InChIKeyNEOMLKAMOQSIAS-UHFFFAOYSA-N
XLogP3.45
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-methyl-2-(1-naphthalen-2-ylsulfonylindazol-4-yl)oxyethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(benzenesulfonyl)indol-4-yl]oxy-N-methylethanamine
CID 11461668
N-[4-[4-[2-(methylamino)ethoxy]indol-1-yl]sulfonylphenyl]acetamide
CID 23501278
N-[2-[1-(benzenesulfonyl)indazol-5-yl]oxyethyl]butan-1-amine
CID 68680624
2-[[2-(benzenesulfonyl)-1H-indol-4-yl]oxy]-N-methylethanamine;hydrochloride
CID 69367839
N-methyl-2-(2-naphthalen-1-yloxyethoxy)ethanamine
CID 82085820
N-methyl-3-naphthalen-1-yloxypropan-1-amine;oxalic acid
CID 2949357
N-[3-(methylamino)propyl]naphthalene-2-sulfonamide;hydrochloride
CID 119964824
(2R)-N-[2-(2,3-dichlorophenoxy)ethyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 41248997
2-(2-ethylphenoxy)-N-methylethanamine;hydrochloride
CID 44665206
N-methyl-2-(2-methylphenoxy)ethanamine;hydrochloride
CID 17178031
2-(2-methoxyphenoxy)-N-methylethanamine;hydrochloride
CID 19749083
1-[3-(methylamino)propyl]-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid;hydrochloride
CID 175730080

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-naphthalen-2-ylsulfonylindazol-4-yl)oxyethanamine;hydrochloride?
The IUPAC name of N-methyl-2-(1-naphthalen-2-ylsulfonylindazol-4-yl)oxyethanamine;hydrochloride (CID 142694484) is N-methyl-2-(1-naphthalen-2-ylsulfonylindazol-4-yl)oxyethanamine;hydrochloride.
What is the SMILES notation for N-methyl-2-(1-naphthalen-2-ylsulfonylindazol-4-yl)oxyethanamine;hydrochloride?
The canonical SMILES for N-methyl-2-(1-naphthalen-2-ylsulfonylindazol-4-yl)oxyethanamine;hydrochloride is CNCCOc1cccc2c1cnn2S(=O)(=O)c1ccc2ccccc2c1.Cl.
What is the InChIKey of N-methyl-2-(1-naphthalen-2-ylsulfonylindazol-4-yl)oxyethanamine;hydrochloride?
The InChIKey is NEOMLKAMOQSIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S.ClH/c1-21-11-12-26-20-8-4-7-19-18(20)14-22-23(19)27(24,25)17-10-9-15-5-2-3-6-16(15)13-17;/h2-10,13-14,21H,11-12H2,1H3;1H.
What are the key properties of N-methyl-2-(1-naphthalen-2-ylsulfonylindazol-4-yl)oxyethanamine;hydrochloride?
N-methyl-2-(1-naphthalen-2-ylsulfonylindazol-4-yl)oxyethanamine;hydrochloride has a molecular weight of 417.92 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-naphthalen-2-ylsulfonylindazol-4-yl)oxyethanamine;hydrochloride is sourced from PubChem (CID 142694484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).